Hydrochloric Acid → N4-{2-[(2-aminopyrimidin-4-yl)amino]ethyl}-N4-methyl-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2,4-diamine

반응식

[CH3:3][NH:4][CH2:5][CH2:6][NH:7][c:8]1[n:9][c:10]([NH2:14])[n:11][cH:12][cH:13]1.[Cl:15][c:16]1[c:17]2[c:18]([n:19][c:20]([NH2:22])[n:21]1)-[c:23]1[c:24]([cH:28][cH:29][cH:30][cH:31]1)[CH2:25][CH2:26][CH2:27]2.[ClH:1].[ClH:2]>>[CH3:3][N:4]([CH2:5][CH2:6][NH:7][c:8]1[n:9][c:10]([NH2:14])[n:11][cH:12][cH:13]1)[c:16]1[c:17]2[c:18]([n:19][c:20]([NH2:22])[n:21]1)-[c:23]1[c:24]([cH:28][cH:29][cH:30][cH:31]1)[CH2:25][CH2:26][CH2:27]2

참가 물질

반응물 3

HCID 313Hydrochloric Acid2회

HCID 866218984-chloro-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidin-2-amine

HCID 866381434-N-[2-(methylamino)ethyl]pyrimidine-2,4-diamine

생성물 1

HCID 44609409N4-{2-[(2-aminopyrimidin-4-yl)amino]ethyl}-N4-methyl-6,7-dihydro-5H-benzo[6,7]cyclohepta[1,2-d]pyrimidine-2,4-diamine

출처 및 근거

ORD 기록: ord-9faf76a0b7cb404aace185de25d8428a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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